LAMMPS (24 Mar 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# DPD Fluid

variable T    equal 1.0
variable rc   equal 1.0
variable rcD  equal 1.2

units        lj
boundary     p p p
atom_style   atomic
dimension    3
newton       on
comm_modify  vel yes

### create box and configuration
variable     L equal 5.0
lattice      fcc 3.0
Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424
region       simBox block 0 ${L} 0 ${L} 0 ${L}
region       simBox block 0 5 0 ${L} 0 ${L}
region       simBox block 0 5 0 5 0 ${L}
region       simBox block 0 5 0 5 0 5
create_box   2 simBox
Created orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  1 by 1 by 1 MPI processor grid
#create_atoms 1 region simBox
create_atoms 1 random 100 12456 simBox
Created 100 atoms
  using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  create_atoms CPU = 0.000 seconds
create_atoms 2 random 100 13245 simBox
Created 100 atoms
  using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  create_atoms CPU = 0.000 seconds
mass         1 1.0
mass         2 2.0
###

pair_style       dpd ${T} ${rc} 3854262
pair_style       dpd 1 ${rc} 3854262
pair_style       dpd 1 1 3854262

pair_coeff   1 1 25.0 4.5  1.2
pair_coeff   1 2 25.1 4.51 1.21
pair_coeff   2 2 25.2 4.52 1.22

timestep     0.01
run_style    verlet

velocity all create ${T} 68768932
velocity all create 1 68768932

thermo_style custom step time temp press
thermo       100

fix 1 all    nve

run          5000
  generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.52
  ghost atom cutoff = 1.52
  binsize = 0.76, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair dpd, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.083 | 3.083 | 3.083 Mbytes
   Step          Time           Temp          Press     
         0   0              1              9.5226009    
       100   1              1.9913643      9.2036029    
       200   2              1.6321732      9.2787957    
       300   3              1.3533438      8.3081433    
       400   4              1.2125884      8.0809065    
       500   5              1.0682216      8.0877925    
       600   6              0.99100473     8.1100319    
       700   7              0.99731243     7.8225195    
       800   8              1.0597693      7.8368218    
       900   9              0.99038588     7.9450569    
      1000   10             1.077129       7.5857015    
      1100   11             0.99070336     7.5138128    
      1200   12             1.013894       7.2794857    
      1300   13             1.0433203      7.7439871    
      1400   14             1.0285528      7.5662235    
      1500   15             0.99180601     7.8376313    
      1600   16             0.98059071     8.0243735    
      1700   17             1.0070947      8.3186893    
      1800   18             0.99507569     7.0786393    
      1900   19             1.0040168      7.8120389    
      2000   20             0.98636164     7.472185     
      2100   21             0.95811165     7.7085985    
      2200   22             0.93568327     6.9424246    
      2300   23             0.92804144     8.1239435    
      2400   24             0.94940276     7.6108611    
      2500   25             1.0535153      8.0772721    
      2600   26             1.0902144      7.5609768    
      2700   27             1.0737336      7.8706755    
      2800   28             0.93074581     7.3699993    
      2900   29             1.0440705      7.6454988    
      3000   30             0.93868164     7.841168     
      3100   31             1.0172025      7.6856163    
      3200   32             1.0405368      7.5325735    
      3300   33             0.96721201     7.8262809    
      3400   34             0.90430758     7.1693921    
      3500   35             0.89938433     7.865845     
      3600   36             0.9907178      7.3462971    
      3700   37             1.0311879      7.8876401    
      3800   38             0.98339132     7.3413929    
      3900   39             1.2111264      8.0968408    
      4000   40             1.062489       7.7315959    
      4100   41             0.94737492     7.3386028    
      4200   42             1.0453816      8.2017304    
      4300   43             0.97024897     7.7379624    
      4400   44             0.9553861      7.8047635    
      4500   45             1.043252       7.7486215    
      4600   46             0.98611474     8.1237053    
      4700   47             0.98624285     8.5801642    
      4800   48             0.97176754     7.1540299    
      4900   49             1.0165401      7.3853841    
      5000   50             0.88359115     7.5541592    
Loop time of 0.359916 on 1 procs for 5000 steps with 200 atoms

Performance: 12002788.048 tau/day, 13892.116 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.24932    | 0.24932    | 0.24932    |   0.0 | 69.27
Neigh   | 0.068726   | 0.068726   | 0.068726   |   0.0 | 19.10
Comm    | 0.028691   | 0.028691   | 0.028691   |   0.0 |  7.97
Output  | 0.00066318 | 0.00066318 | 0.00066318 |   0.0 |  0.18
Modify  | 0.0078062  | 0.0078062  | 0.0078062  |   0.0 |  2.17
Other   |            | 0.004713   |            |       |  1.31

Nlocal:            200 ave         200 max         200 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            546 ave         546 max         546 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:           1649 ave        1649 max        1649 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1649
Ave neighs/atom = 8.245
Neighbor list builds = 500
Dangerous builds = 500

Total wall time: 0:00:00
